CAS RN: 1530-45-6
Ethoxycarbonylmethyl(triphenyl)phosphonium Bromide
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250203 | 100g | In stock | Inquiry |
| Batchno.20260225 | 10g | In stock | Inquiry |
| Batchno.20260426 | 1kg | Out of stock | Inquiry |
| Batchno.20251122 | 250g | In stock | Inquiry |
| Batchno.20251203 | 25g | In stock | Inquiry |
| Batchno.20260621 | 500g | In stock | Inquiry |
| Batchno.20260622 | 5g | In stock | Inquiry |
- Product code: SSC-062629
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 10g, 25g, 5g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
1530-45-6 / (2-ethoxy-2-oxoethyl)-triphenylphosphanium bromide
Basic Information
CAS
1530-45-6
Multi CAS
No
Molecular Formula
C22H22BrO2P
Molecular Weight
429.300000
Exact Mass
428.054080
SMILES
CCOC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1
InChIKey
VJVZPTPOYCJFNI-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
106.65
TPSA
26.3
LogP / Solubility
WLOGP
0.55
MLOGP
0.51
XLogP3
0.55
Consensus LogP
0.54
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
(2,4-Dichlorobenzyl)triphenylphosphonium Chloride
- CAS RN: 2492-23-1
- Product Code: SSC-120214
-
Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium Bromide
- CAS RN: 115754-62-6
- Product Code: SSC-015504
-
[3-(Ethoxycarbonyl)propyl]triphenylphosphonium Bromide
- CAS RN: 50479-11-3
- Product Code: SSC-157017
-
-
-
![CAS 50479-11-3 [3-(Ethoxycarbonyl)propyl]triphenylphosphonium Bromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/e1450-jpgcontextbwfzdgvyfhjvb3r8mtgzmjr8aw1hz2uvanblz3xontcvadq2lzkxotyzndg5otc2njivrte0ntauanbnfgeyyte4nze1mjlmzmq2nwe1ytzmmgi2zgy2ytyynwmyndbiodvmztu1odq5nwixzdvjodqxyjcymjczzjjinzy.jpeg)
